Crystallography Open Database

Information card for entry 7130781

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Coordinates	7130781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H42 Cl2 N2 P2 Ru
Calculated formula	C48 H42 Cl2 N2 P2 Ru
SMILES	[Ru]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[NH2]c2c([NH]1c1ccccc1)cccc2
Title of publication	Metal-mediated rearrangement of 1,2-diphenylhydrazine to ortho-semidine upon reaction with dichlorotris(triphenylphosphine)ruthenium(ii)
Authors of publication	Cena, Nicolas; Peloquin, Andrew J.; Boatz, Jerry A.; Costa, Sarah; Gralinski, Steven R.; Balch, Alan L.; Ghiassi, Kamran B.
Journal of publication	Chemical Communications
Year of publication	2022
a	12.798 ± 0.003 Å
b	12.949 ± 0.003 Å
c	24.832 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4115.2 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0781
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278266 (current)	2022-09-30	cif/ Adding structures of 7130780, 7130781 via cif-deposit CGI script.	7130781.cif